REMARK  Name = BDB045115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.611   0.486  -1.436  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.254   0.365  -0.808  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -2.624  -0.879  -0.716  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.371  -1.008  -0.093  0.00  0.00    -0.038 A 
ATOM      5  C   LIG    1       -0.739  -2.379   0.014  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        0.226  -2.429   1.196  0.00  0.00    +0.116 C 
ATOM      7  N   LIG    1        1.175  -1.338   1.096  0.00  0.00    -0.261 N 
ATOM      8  C   LIG    1        0.674   0.026   1.055  0.00  0.00    +0.189 C 
ATOM      9  C   LIG    1        1.781   0.765   0.350  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        2.745  -0.144  -0.082  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        3.885   0.227  -0.773  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        4.070   1.586  -1.020  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.127   2.526  -0.570  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        1.978   2.120   0.123  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.321  -1.483   0.325  0.00  0.00    +0.250 C 
ATOM     16  O   LIG    1        2.875  -2.514  -0.008  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -0.708   0.133   0.416  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -1.379   1.367   0.360  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -2.634   1.482  -0.244  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   8  20
ATOM     20  O   LIG    1        0.614   0.455   2.399  0.00  0.00    -0.364 OA
ATOM     21  H   LIG    1        1.046  -0.272   2.876  0.00  0.00    +0.213 HD
ENDBRANCH   8  20
TORSDOF 1